cp_result_methods Namespace Reference

set of type/routines to handle the storage of results in force_envs More...

Classes
interface	put_results
interface	get_results
Functions
subroutine	put_result_r1 (results, description, values, error)
	Store a 1D array of reals in result_list.
subroutine	put_result_r2 (results, description, values, error)
	Store a 2D array of reals in result_list.
subroutine	get_result_r1 (results, description, values, nval, n_rep, n_entries, error)
	gets the required part out of the result_list
subroutine	get_result_r2 (results, description, values, nval, n_rep, n_entries, error)
	gets the required part out of the result_list
subroutine	get_nreps (results, description, n_rep, n_entries, type_in_use, error)
	gets the required part out of the result_list
subroutine, public	cp_results_erase (results, description, nval, error)
	erase a part of result_list
subroutine, public	cp_results_mp_bcast (results, source, para_env, error)
	broadcast results type
Variables
CHARACTER(len=*), parameter, private	moduleN = 'cp_result_methods'

---

Detailed Description

set of type/routines to handle the storage of results in force_envs

Author:

fschiff (12.2007)

History

• 10.2008 Teodoro Laino [tlaino] - University of Zurich major rewriting:
  • information stored in a proper type (not in a character!)
  • module more lean

---

Function Documentation

subroutine,public cp_result_methods::cp_results_erase	(	TYPE(cp_result_type),pointer	results,
		CHARACTER(LEN=default_string_length),optional	description,
		INTEGER,optional	nval,
		TYPE(cp_error_type),intent(inout)	error
	)

erase a part of result_list

Parameters:

nval	: if more than one entry for a given description is given you may choose which entry you want to delete

History

12.2007 created 10.2008 Teodoro Laino [tlaino] - major rewriting

Author:

fschiff

Definition at line 354 of file cp_result_methods.f90.

References cp_result_types::cp_result_clean(), cp_result_types::cp_result_copy(), cp_result_types::cp_result_create(), cp_result_types::cp_result_release(), cp_result_types::cp_result_value_copy(), cp_result_types::cp_result_value_create(), and CPPostcondition.

Referenced by fist_force::fist_dipole(), force_env_methods::mixed_energy_forces(), mixed_environment_utils::mixed_map_forces(), qs_moments::qs_moment_berry_phase(), qs_moments::qs_moment_locop(), and qs_scf_post_gpw::qs_scf_post_loc_dip().

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subroutine,public cp_result_methods::cp_results_mp_bcast	(	TYPE(cp_result_type),pointer	results,
		INTEGER,intent(in)	source,
		TYPE(cp_para_env_type),pointer	para_env,
		TYPE(cp_error_type),intent(inout)	error
	)

broadcast results type

Author:

10.2008 Teodoro Laino [tlaino] - University of Zurich

Definition at line 433 of file cp_result_methods.f90.

References cp_result_types::cp_result_clean(), cp_result_types::cp_result_value_create(), cp_result_types::cp_result_value_init(), CPPostcondition, get_nreps(), and input_val_types::integer_t.

Referenced by replica_types::rep_env_sync_results().

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subroutine cp_result_methods::get_nreps	(	TYPE(cp_result_type),pointer	results,
		CHARACTER(LEN=default_string_length)	description,
		INTEGER,optional	n_rep,
		INTEGER,optional	n_entries,
		INTEGER,optional	type_in_use,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

gets the required part out of the result_list

Parameters:

n_rep	: integer indicating how many times the section exists in result_list
n_entries	: gets the number of lines used for a given description

History

12.2007 created 10.2008 Teodoro Laino [tlaino] - major rewriting

Author:

fschiff

Definition at line 293 of file cp_result_methods.f90.

References CPPostcondition, and input_val_types::integer_t.

Referenced by cp_results_mp_bcast().

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subroutine cp_result_methods::get_result_r1	(	TYPE(cp_result_type),pointer	results,
		CHARACTER(LEN=default_string_length)	description,
		REAL(KIND=dp),dimension(:)	values,
		INTEGER,optional	nval,
		INTEGER,optional	n_rep,
		INTEGER,optional	n_entries,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

gets the required part out of the result_list

Parameters:

nval	: if more than one entry for a given description is given you may choose which entry you want
n_rep	: integer indicating how many times the section exists in result_list
n_entries	: gets the number of lines used for a given description

History

12.2007 created 10.2008 Teodoro Laino [tlaino] - major rewriting

Author:

fschiff

Definition at line 134 of file cp_result_methods.f90.

References CPPostcondition.

subroutine cp_result_methods::get_result_r2	(	TYPE(cp_result_type),pointer	results,
		CHARACTER(LEN=default_string_length)	description,
		REAL(KIND=dp),dimension(:, :)	values,
		INTEGER,optional	nval,
		INTEGER,optional	n_rep,
		INTEGER,optional	n_entries,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

gets the required part out of the result_list

Parameters:

nval	: if more than one entry for a given description is given you may choose which entry you want
n_rep	: integer indicating how many times the section exists in result_list
n_entries	: gets the number of lines used for a given description

History

12.2007 created 10.2008 Teodoro Laino [tlaino] - major rewriting

Author:

fschiff

Definition at line 214 of file cp_result_methods.f90.

References CPPostcondition.

subroutine cp_result_methods::put_result_r1	(	TYPE(cp_result_type),pointer	results,
		CHARACTER(LEN=default_string_length)	description,
		REAL(KIND=dp),dimension(:)	values,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

Store a 1D array of reals in result_list.

History

12.2007 created 10.2008 Teodoro Laino [tlaino] - major rewriting

Author:

fschiff

Definition at line 58 of file cp_result_methods.f90.

References cp_result_types::cp_result_value_init(), cp_result_types::cp_result_value_p_reallocate(), and CPPostcondition.

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subroutine cp_result_methods::put_result_r2	(	TYPE(cp_result_type),pointer	results,
		CHARACTER(LEN=default_string_length)	description,
		REAL(KIND=dp),dimension(:, :)	values,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

Store a 2D array of reals in result_list.

History

12.2007 created 10.2008 Teodoro Laino [tlaino] - major rewriting

Author:

fschiff

Definition at line 94 of file cp_result_methods.f90.

References cp_result_types::cp_result_value_init(), cp_result_types::cp_result_value_p_reallocate(), and CPPostcondition.

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---

Variable Documentation

CHARACTER(len=*),parameter,private cp_result_methods::moduleN = 'cp_result_methods'

Definition at line 34 of file cp_result_methods.f90.